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PUBCHEM-ZINC06361364

 MMsINC code: MMs03686885
Type: Neutral
Formula: C13H24N2O2
SMILES:   OCC1N(CCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C13H24N2O2/c16-10-12-8-4-5-9-15(12)13(17)14-11-6-2-1-3-7-11/h11-12,16H,1-10H2,(H,14,17)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=42.8304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.347 g/mol  logS: -1.52109  SlogP: 1.8755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772185  Sterimol/B1: 3.11539  Sterimol/B2: 3.53833  Sterimol/B3: 4.30749
  Sterimol/B4: 5.14943  Sterimol/L: 13.9713 
 
 Surface and Volume Properties
  Accessible surface: 472.777  Positive charged surface: 396.21  Negative charged surface: 76.5676  Volume: 248.25
  Hydrophobic surface: 415.874  Hydrophilic surface: 56.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.